N,N-dibutylformamide

• ChemBase ID: 89546
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: N(C=O)(CCCC)CCCC
• Canonical SMILES: CCCCN(C=O)CCCC
• InChI: InChI=1S/C9H19NO/c1-3-5-7-10(9-11)8-6-4-2/h9H,3-8H2,1-2H3
• InChIKey: NZMAJUHVSZBJHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutylformamide
• IUPAC Traditional name: formamide, N,N-dibutyl-
• Synonyms: N,N-Di-n-butylformamide; N,N-Dibutylformamide; N-Formyldibutylamine; N,N-Di(but-1-yl)formamide 98+%; N,N-二正丁基甲酰胺; N,N-二丁基甲酰胺

Database IDs

• CAS Number: 761-65-9
• EC Number: 212-090-0
• MDL Number: MFCD00003289
• Beilstein Number: 636100
• PubChem SID: 162076423; 24893894; 24861457
• PubChem CID: 12975

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0161629
• LogD (pH = 7.4): 2.016163
• Log P: 2.016163
• Molar Refractivity: 47.516 cm^3
• Polarizability: 18.514233 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: <-30°C
• Boiling Point: 119-120°C/15mm; 120 °C/15 mmHg(lit.); 120°C/15mm
• Flash Point: 100 °C; 100°C; 115°C(239°F); 212 °F
• Density: 0.864; 0.864 g/mL at 25 °C(lit.)
• Refractive Index: 1.4443; 1.4445; n20/D 1.44; n20/D 1.44(lit.)
• Vapor Pressure: <1 mmHg ( 20 °C)

Safety Information

• Storage Warning: Harmful/Irritant
• RTECS: LQ1833000
• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 22-36/38-52/53; 37-43
• Safety Statements: 23-26-36/37-61; 36/37
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H301-H315-H319-H402-H412; H317
• GHS Precautionary statements: P280; P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥99.0% (GC); 99%
• Grade: purum
• Linear Formula: HCON(CH2CH2CH2CH3)2

DETAILS

Sigma Aldrich - D46904

Packaging
25, 100 g in glass bottle